CFD Online Logo CFD Online URL
www.cfd-online.com
[Sponsors]
Home > Forums > OpenFOAM Pre-Processing

Chemkin reader

Register Blogs Members List Search Today's Posts Mark Forums Read

Like Tree3Likes

Reply
 
LinkBack Thread Tools Display Modes
Old   April 17, 2006, 10:02
Default I am trying to import some che
  #1
Member
 
stefan
Join Date: Mar 2009
Posts: 96
Rep Power: 8
stefanke is on a distinguished road
I am trying to import some chemkin reaction schemes but when I use the chemkinToFoam utility then the following error occus:

--> FOAM FATAL ERROR : while reading thermodynamic data date on line 3
expected <word> (6A1) but found '"0"O L 1/90O 1 00 00 00G 200.000 3500.000 1000.000 1'

From function chemkinReader::lex()
in file chemistryReaders/chemkinReader/chemkinLexer.L at line 1501.

But I am pretty sure that the 'therm.dat' and 'chem.inp' is correct! Are the any special things to know to import a chemkin scheme?

Any help is very appreciated.
stefanke is offline   Reply With Quote

Old   July 27, 2006, 05:53
Default Hi, I started to use OF rec
  #2
atsushi
Guest
 
Posts: n/a
Hi,

I started to use OF recently,
and I'm trying to run tutorials/dieselFoam/aachenBomb by using DME.

I typed:

cp chem.inp_DME chem.inp
blockMesh . aachenBomb
dieselFoam . aachenBomb

then following error occurs:

-->FOAM FATAL ERROR : unknown specie CH2(s)+ on line 125
Valid species are
54
(
HCCO
CO
...

HCOOCH3
HO2
)

From function chemkinReader::lex()
in file chemistryReaders/chemkinReader/chemkinLexer.L at line 1225.
FOAM exiting

What should I do??
Please someone help me.


Atsushi
  Reply With Quote

Old   June 5, 2007, 05:24
Default Hello Atsushi, I'm a new us
  #3
Senior Member
 
Markus Rehm
Join Date: Mar 2009
Location: Erlangen (Germany)
Posts: 176
Rep Power: 8
markusrehm is on a distinguished road
Hello Atsushi,

I'm a new user but your problem I solved with the help of a workaround and just renamed the specie CH2(s) to something like CH2S in both files. The parser doesn't seem to like parentheses.

@stefan: Did you solve your problem? I have the same when I want to read the GRI30 files. The *.inp file worked fine after some minor modications but the thermo.dat I wasn't able to read in.

Someone knows how to do it?
ayhan515 likes this.
markusrehm is offline   Reply With Quote

Old   June 12, 2007, 23:51
Default Hi Markus, Thank you for yo
  #4
atsushi
Guest
 
Posts: n/a
Hi Markus,

Thank you for your answer!!
I'll try it.

Atsushi
  Reply With Quote

Old   June 13, 2007, 01:46
Default Hello, for people having th
  #5
Senior Member
 
Markus Rehm
Join Date: Mar 2009
Location: Erlangen (Germany)
Posts: 176
Rep Power: 8
markusrehm is on a distinguished road
Hello,

for people having the same problem as Stefan:

1) run dos2unix on the Mech-files to avoid windows-unix problems

2) check the files (especially the thermo data) if it is according to the chemkin standard. It is very! important in what coloumn what information is written.

Thanks to everyone who helped us with that in the Zagreb workshop!!!

We are still playing around with it and haven't been able to start the real calculation.

Regards Markus
ayhan515 likes this.
markusrehm is offline   Reply With Quote

Old   September 3, 2007, 02:56
Default Hi, I'm interested in "chem
  #6
atsushi
Guest
 
Posts: n/a
Hi,

I'm interested in "chem.inp_15" file.
What kind of phenomena it can simualte?
Who made it?


I want to know details about this reaction scheme.

Thanks.

Atsu
  Reply With Quote

Old   September 4, 2007, 02:37
Default Hi, ↑↑↑ One
  #7
atsushi
Guest
 
Posts: n/a
Hi,

&uarr;&uarr;&uarr;
One more question,

Can "chem.inp_15" file simulate HCCI or PCCI combustion??
Does it consider self-ignition??.

Thanks.

Atsu
ayhan515 likes this.
  Reply With Quote

Old   June 2, 2009, 13:14
Default
  #8
Member
 
Rachel Vogl
Join Date: Jun 2009
Posts: 48
Rep Power: 8
Rachel is on a distinguished road
Hello All,

Is there some tutorial to understand the Chemkin reader and the corresponding format. I dont know how to use Chemkin with OpenFOAM .

I would like to simulate Syn-gas reaction and need to implement some species and reactions in dieselFoam solver.
The reactions looks like:
C + H2O -> CO + H2
CO + H2O -> CO2 + H2

Thanks,
Rachel
Rachel is offline   Reply With Quote

Old   June 3, 2009, 02:32
Default
  #9
Senior Member
 
Markus Rehm
Join Date: Mar 2009
Location: Erlangen (Germany)
Posts: 176
Rep Power: 8
markusrehm is on a distinguished road
Hi Rachel,

you don't have to input the reaction data through Chemkin files - you can use the *.foam chemistry files. This format is more easy I think. The utility chemkinToFoam is an appropriate converter.

Use it to create a foam-file and change it with your data.

Regards, Markus.
markusrehm is offline   Reply With Quote

Old   June 3, 2009, 02:43
Default
  #10
Super Moderator
 
niklas's Avatar
 
Niklas Nordin
Join Date: Mar 2009
Location: Stockholm, Sweden
Posts: 693
Rep Power: 19
niklas will become famous soon enough
Quote:
Originally Posted by Rachel View Post
Hello All,

Is there some tutorial to understand the Chemkin reader and the corresponding format. I dont know how to use Chemkin with OpenFOAM .

I would like to simulate Syn-gas reaction and need to implement some species and reactions in dieselFoam solver.
The reactions looks like:
C + H2O -> CO + H2
CO + H2O -> CO2 + H2

Thanks,
Rachel
http://openfoamwiki.net/index.php/Co...icalProperties
http://openfoamwiki.net/index.php/Co...iesCHEMKINFile
niklas is offline   Reply With Quote

Old   June 9, 2009, 12:08
Default
  #11
Member
 
Rachel Vogl
Join Date: Jun 2009
Posts: 48
Rep Power: 8
Rachel is on a distinguished road
Thanks for your replies,

I tried implementing one reaction with species.
CO + H2O -> CO2 + H2

However I ran into some trouble. It a bit strange that the error message depends on the order of the components in the reaction.

Quote:
CASE 1:

ELEMENTS
H O C
END
SPECIE
CO CO2 H2 H2O
END
REACTIONS JOULES/MOLE
CO + H20 = CO2 + H2 5.00E+8 0.0 15780.0 ! 1
END



% dieselFoam
....
Reading thermophysicalProperties
Selecting thermodynamics package hMixtureThermo<reactingMixture>
Selecting chemistryReader chemkinReader


while reading reaction specie on line 8
expected '+' but found '"=" CO2 + H2 5.00E+8 0.0 15780.0 ! 1'

From function chemkinReader::lex()
in file chemistryReaders/chemkinReader/chemkinLexer.L at line 1507.

FOAM exiting

CASE 2:
Quote:
ELEMENTS
H O C
END
SPECIE
CO CO2 H2 H2O
END
REACTIONS JOULES/MOLE
H20 + CO = CO2 + H2 5.00E+8 0.0 15780.0 ! 1
END


% dieselFoam
....
Reading thermophysicalProperties
Selecting thermodynamics package hMixtureThermo<reactingMixture>
Selecting chemistryReader chemkinReader


unknown specie H20+ on line 8
Valid species are :

4
(
CO
CO2
H2
H2O
)


From function chemkinReader::lex()
in file chemistryReaders/chemkinReader/chemkinLexer.L at line 1231.

FOAM exiting


Can anybody please help me with the above errors?

Thanks,
Rachel
Rachel is offline   Reply With Quote

Old   June 10, 2009, 02:44
Default
  #12
New Member
 
Jan Kubata
Join Date: Mar 2009
Location: Prague, Czech Republic
Posts: 10
Rep Power: 8
JanKubata is on a distinguished road
Hi Rachel,
try " => " instead of " = ".
Second thing - It seem that you have H2"zero" in your chemkin-file -> rewrite it for H2O.
Regards
Jan
JanKubata is offline   Reply With Quote

Old   June 15, 2009, 03:55
Default
  #13
Member
 
Rachel Vogl
Join Date: Jun 2009
Posts: 48
Rep Power: 8
Rachel is on a distinguished road
hi Jan,

I tried with "=>". However I get the same error msg.

I have both H2 and H20 files in 0/ folder. Or am I understanding wrong?
Any help would be appreciated.

THanks
Rachel is offline   Reply With Quote

Old   June 15, 2009, 05:12
Default
  #14
New Member
 
Jan Kubata
Join Date: Mar 2009
Location: Prague, Czech Republic
Posts: 10
Rep Power: 8
JanKubata is on a distinguished road
I copied your chemkin file from this forum:
ELEMENTS
H O C
END
SPECIE
CO CO2 H2 H2O
END
REACTIONS JOULES/MOLE
H20 + CO = CO2 + H2 5.00E+8 0.0 15780.0 ! 1
END


and you have zero here:
H2zero + CO = CO2 + H2 5.00E+8 0.0 15780.0 ! 1

I think that this is source of your problems.
JanKubata is offline   Reply With Quote

Old   June 15, 2009, 10:18
Default
  #15
Member
 
Rachel Vogl
Join Date: Jun 2009
Posts: 48
Rep Power: 8
Rachel is on a distinguished road
Thanks Jan,
That was a stupid typo mistake by me.
Rachel is offline   Reply With Quote

Old   January 7, 2010, 14:25
Default may someone help me with the chemkin license?
  #16
New Member
 
Doug
Join Date: Jan 2010
Posts: 1
Rep Power: 0
dulls is on a distinguished road
I downloaded Chemkin pro from rapidshare, It came With the license file, I placed this file in the right folder, but it didn't work. Could someone help me with the configuration of this license file.
Thank you
dulls is offline   Reply With Quote

Old   June 16, 2010, 07:23
Default
  #17
New Member
 
Join Date: May 2010
Location: Cologne
Posts: 27
Rep Power: 7
marcbest is on a distinguished road
Quote:
Hi,

I started to use OF recently,
and I'm trying to run tutorials/dieselFoam/aachenBomb by using DME.

I typed:

cp chem.inp_DME chem.inp
blockMesh . aachenBomb
dieselFoam . aachenBomb

then following error occurs:

-->FOAM FATAL ERROR : unknown specie CH2(s)+ on line 125
Valid species are
54
(
HCCO
CO
...

HCOOCH3
HO2
)

From function chemkinReader::lex()
in file chemistryReaders/chemkinReader/chemkinLexer.L at line 1225.
FOAM exiting

What should I do??
Please someone help me.


Atsushi
I'm answering to an older post, but it however may be of note.
In detailled chemistry reactions, there are many radicals involved, for example CH2(S) which is the singlet state of methylene, whereas CH2 is the triplet state.
So CH2(S) means not solid, but singlet-state. To make the reactrion work CH2(S) must be written as CH2* which is exactly the same molecule-configuration.

see also:
http://www.me.berkeley.edu/gri_mech/...cies/ch2s.html
http://en.wikipedia.org/wiki/Carbene
http://www.galcit.caltech.edu/EDL/me...2/readme12.dat chapter 1 page 3
marcbest is offline   Reply With Quote

Old   August 31, 2010, 10:54
Default chemkinToFoam (Differences in constants)
  #18
Member
 
N. A.
Join Date: May 2010
Posts: 64
Rep Power: 7
N. A. is on a distinguished road
Good links on the Chemkin above

Last edited by N. A.; September 15, 2010 at 22:48.
N. A. is offline   Reply With Quote

Old   October 6, 2010, 09:55
Default
  #19
New Member
 
saeed divrakhsh
Join Date: Jul 2010
Posts: 8
Rep Power: 6
valikiut is on a distinguished road
hi
I am trying to simulate the engine by dieselfoam with dme fuel, but i don't have dme one step arrhenius cofficients.does everyone know the dme one step arrhenius cofficients?
thanks
valikiut is offline   Reply With Quote

Old   October 17, 2012, 22:56
Default How to compile a new fuel in OF 2.1.x
  #20
New Member
 
Gustavo
Join Date: Feb 2010
Location: Curitiba - PR - Brasil
Posts: 16
Rep Power: 7
ghindi is on a distinguished road
Hi there!

I'm using OF 2.1.x trying to use the sprayFoam solver with DME as fuel. I've downloaded from LLNL the detailed chemical mechanism and the thermodynamics data.
When I run my case I got the following error message:
"Unknown liquid properties type CH3OCH3
Valid liquidProperties type are:...."
There is a list of 30 "valid" species.
I've then gone to the /src/thermophysicalModels/properties/liquidProperties folder and created a folder for CH3OCH3, by copying another folder.
I've edited the just created CH3OCH3.C, CH3OCH3.H and CH3OCH3I.H files.
When I try to run the Allwmake from the /properties folder, the new fuel does not get compiled.
Can someone please help?
Another question. Do I need to create also all the other species from the DME mechanism and compile?

Best regards,
Gustavo.
ghindi is offline   Reply With Quote

Reply

Thread Tools
Display Modes

Posting Rules
You may not post new threads
You may not post replies
You may not post attachments
You may not edit your posts

BB code is On
Smilies are On
[IMG] code is On
HTML code is Off
Trackbacks are On
Pingbacks are On
Refbacks are On


Similar Threads
Thread Thread Starter Forum Replies Last Post
ParaFoam reader duartealbuquerque OpenFOAM Paraview & paraFoam 21 December 24, 2009 00:29
A reader for cavityOpenFOAM alex OpenFOAM Running, Solving & CFD 11 April 2, 2009 09:57
ParaView Reader %7c Visit tj22 OpenFOAM Paraview & paraFoam 16 September 25, 2008 14:01
Chemkin reader TROE parameters stefanke OpenFOAM Running, Solving & CFD 1 September 9, 2006 00:02
Reader should I visualize t%3d0 tj22 OpenFOAM Paraview & paraFoam 1 June 30, 2006 10:16


All times are GMT -4. The time now is 09:49.